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18137-96-7

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Basic Information
CAS No.: 18137-96-7
Name: nitromethane
Article Data: 1
Molecular Structure:
Molecular Structure of 18137-96-7 (nitromethane)
Formula: CH2NO2-
Molecular Weight: 60.0324
Synonyms: Methanenitronate;
Boiling Point: 85.1 °C at 760 mmHg
Flash Point: 35 °C
PSA: 51.81000
LogP: 0.21830
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Specification

The Methane, nitro-,ion(1-) (8CI,9CI), with the CAS registry number of 18137-96-7, is also known as Methanenitronate. Its molecular formula is CH2NO2- and molecular weight is 61.04. What's more, its systematic name is Nitromethanide.

Physical properties about the Methane, nitro-,ion(1-) (8CI,9CI) are: (1)ACD/LogP: -0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): -0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.65; (8)ACD/KOC (pH 7.4): 18.62; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 45.82 Å2; (13)Flash Point: 35 °C; (14)Enthalpy of Vaporization: 31.2 kJ/mol; (15)Boiling Point: 85.1 °C at 760 mmHg; (16)Vapour Pressure: 78.6 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)[CH2-]
(2) InChI: InChI=1/CH2NO2/c1-2(3)4/h1H2/q-1
(3) InChIKey: FMXOEQQPVONPBU-UHFFFAOYAM